N-[2-(7-fluoro-2H-indazol-3-yl)propan-2-ylamino]-N-[(2S)-morpholin-2-yl]hydroxylamine

C14H20FN5O2 — CID 145079734

IUPACN-[2-(7-fluoro-2H-indazol-3-yl)propan-2-ylamino]-N-[(2S)-morpholin-2-yl]hydroxylamine
SMILESCC(C)(NN(O)[C@@H]1CNCCO1)c1[nH]nc2c(F)cccc12
InChIInChI=1S/C14H20FN5O2/c1-14(2,19-20(21)11-8-16-6-7-22-11)13-9-4-3-5-10(15)12(9)17-18-13/h3-5,11,16,19,21H,6-8H2,1-2H3,(H,17,18)/t11-/m0/s1
InChIKeyACJULEMKRRTKRI-NSHDSACASA-N
MW309.35 g/mol
LogP1.08
Rot. Bonds4

About N-[2-(7-fluoro-2H-indazol-3-yl)propan-2-ylamino]-N-[(2S)-morpholin-2-yl]hydroxylamine

N-[2-(7-fluoro-2H-indazol-3-yl)propan-2-ylamino]-N-[(2S)-morpholin-2-yl]hydroxylamine (PubChem CID 145079734) has the molecular formula C14H20FN5O2 and a molecular weight of 309.35 g/mol. Its IUPAC name is N-[2-(7-fluoro-2H-indazol-3-yl)propan-2-ylamino]-N-[(2S)-morpholin-2-yl]hydroxylamine.

Molecular Properties

Compound NameN-[2-(7-fluoro-2H-indazol-3-yl)propan-2-ylamino]-N-[(2S)-morpholin-2-yl]hydroxylamine
PubChem CID145079734
Molecular FormulaC14H20FN5O2
Molecular Weight309.35 g/mol
Exact Mass309.16
IUPAC NameN-[2-(7-fluoro-2H-indazol-3-yl)propan-2-ylamino]-N-[(2S)-morpholin-2-yl]hydroxylamine
SMILESCC(C)(NN(O)[C@@H]1CNCCO1)c1[nH]nc2c(F)cccc12
InChIInChI=1S/C14H20FN5O2/c1-14(2,19-20(21)11-8-16-6-7-22-11)13-9-4-3-5-10(15)12(9)17-18-13/h3-5,11,16,19,21H,6-8H2,1-2H3,(H,17,18)/t11-/m0/s1
InChIKeyACJULEMKRRTKRI-NSHDSACASA-N
XLogP1.08
TPSA85.44 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 51.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(7-fluoro-2H-indazol-3-yl)propan-2-ylamino]-N-[(2S)-morpholin-2-yl]hydroxylamine?
The IUPAC name of N-[2-(7-fluoro-2H-indazol-3-yl)propan-2-ylamino]-N-[(2S)-morpholin-2-yl]hydroxylamine (CID 145079734) is N-[2-(7-fluoro-2H-indazol-3-yl)propan-2-ylamino]-N-[(2S)-morpholin-2-yl]hydroxylamine.
What is the SMILES notation for N-[2-(7-fluoro-2H-indazol-3-yl)propan-2-ylamino]-N-[(2S)-morpholin-2-yl]hydroxylamine?
The canonical SMILES for N-[2-(7-fluoro-2H-indazol-3-yl)propan-2-ylamino]-N-[(2S)-morpholin-2-yl]hydroxylamine is CC(C)(NN(O)[C@@H]1CNCCO1)c1[nH]nc2c(F)cccc12.
What is the InChIKey of N-[2-(7-fluoro-2H-indazol-3-yl)propan-2-ylamino]-N-[(2S)-morpholin-2-yl]hydroxylamine?
The InChIKey is ACJULEMKRRTKRI-NSHDSACASA-N. The full InChI is InChI=1S/C14H20FN5O2/c1-14(2,19-20(21)11-8-16-6-7-22-11)13-9-4-3-5-10(15)12(9)17-18-13/h3-5,11,16,19,21H,6-8H2,1-2H3,(H,17,18)/t11-/m0/s1.
What are the key properties of N-[2-(7-fluoro-2H-indazol-3-yl)propan-2-ylamino]-N-[(2S)-morpholin-2-yl]hydroxylamine?
N-[2-(7-fluoro-2H-indazol-3-yl)propan-2-ylamino]-N-[(2S)-morpholin-2-yl]hydroxylamine has a molecular weight of 309.35 g/mol, XLogP of 1.08, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-fluoro-2H-indazol-3-yl)propan-2-ylamino]-N-[(2S)-morpholin-2-yl]hydroxylamine is sourced from PubChem (CID 145079734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).